2,5-bis(4-azanyl-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)hexanedioic acid

Systemtic Name: 2,5-bis(4-azanyl-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)hexanedioic acid Openeye Name: 2,5-bis(4-amino-5-chloro-6-oxo-cyclohexa-1,4-dien-1-yl)hexanedioic acid CAS Name: 2,5-bis(4-amino-5-chloro-6-oxo-1-cyclohexa-1,4-dienyl)hexanedioic acid IUPAC Name: 2,5-bis(4-amino-5-chloro-6-oxocyclohexa-1,4-dien-1-yl)hexanedioic acid Traditional Name: 2,5-bis(4-amino-5-chloro-6-keto-cyclohexa-1,4-dien-1-yl)adipic acid Formula: C18H18Cl2N2O6 MolecularWeight: 429.25132

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=O)C(=C1N)Cl)C(CCC(C2=CCC(=C(C2=O)Cl)N)C(=O)O)C(=O)O

Isomeric SMILES

C1C=C(C(=O)C(=C1N)Cl)C(CCC(C2=CCC(=C(C2=O)Cl)N)C(=O)O)C(=O)O

InChI

InChI=1S/C18H18Cl2N2O6/c19-13-11(21)5-3-7(15(13)23)9(17(25)26)1-2-10(18(27)28)8-4-6-12(22)14(20)16(8)24/h3-4,9-10H,1-2,5-6,21-22H2,(H,25,26)(H,27,28)